N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine

C12H21N3O — CID 112637900

IUPACN-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC(C)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-16-11-6-7-13-12(15-11)14-8-10(4)9(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,13,14,15)
InChIKeyQLHABUAECAEQAF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.58
Rot. Bonds6

About N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine

N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine (PubChem CID 112637900) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
PubChem CID112637900
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC(C)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-16-11-6-7-13-12(15-11)14-8-10(4)9(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,13,14,15)
InChIKeyQLHABUAECAEQAF-UHFFFAOYSA-N
XLogP2.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 114134754
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 112637987
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine (CID 112637900) is N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCC(C)C(C)C)n1.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine?
The InChIKey is QLHABUAECAEQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-16-11-6-7-13-12(15-11)14-8-10(4)9(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,13,14,15).
What are the key properties of N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine?
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112637900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).